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digadolinium(3+) octahydrate trisulfate

digadolinium(3+) octahydrate trisulfate

CAS: 13450-87-8

Formula: Gd2H16O20S3

SMILES: O.O.O.O.O.O.O.O.[Gd+3].[Gd+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O

IUPAC: digadolinium(3+) octahydrate trisulfate

InChI: InChI=1S/2Gd.3H2O4S.8H2O/c;;3*1-5(2,3)4;;;;;;;;/h;;3*(H2,1,2,3,4);8*1H2/q2*+3;;;;;;;;;;;/p-6

Composition: H (2.16%), Gd (42.11%), O (42.85%), S (12.88%)

Molar Mass: 746.79

Atom Count: 41

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 747.78793
Formal Charge 0
FSP3 N/A
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey JBFCVGZGWFIPNK-UHFFFAOYSA-H
Lipinski's Rule of Five
Molar Refractivity 11.53
Topological Polar Surface Area 80.26
Polarizability 6.04
Ring Count 0
Rotatable Bond Count 0

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